[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone

C16H18Br2N2O4 — CID 30482005

IUPAC[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Br)c(C(=O)N2CCOCC2)cc1Br)N1CCOCC1
InChIInChI=1S/C16H18Br2N2O4/c17-13-10-12(16(22)20-3-7-24-8-4-20)14(18)9-11(13)15(21)19-1-5-23-6-2-19/h9-10H,1-8H2
InChIKeyNHLKJMWTJSKYGG-UHFFFAOYSA-N
MW462.14 g/mol
LogP2.16
Rot. Bonds2

About [2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone

[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone (PubChem CID 30482005) has the molecular formula C16H18Br2N2O4 and a molecular weight of 462.14 g/mol. Its IUPAC name is [2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
PubChem CID30482005
Molecular FormulaC16H18Br2N2O4
Molecular Weight462.14 g/mol
Exact Mass459.96
IUPAC Name[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Br)c(C(=O)N2CCOCC2)cc1Br)N1CCOCC1
InChIInChI=1S/C16H18Br2N2O4/c17-13-10-12(16(22)20-3-7-24-8-4-20)14(18)9-11(13)15(21)19-1-5-23-6-2-19/h9-10H,1-8H2
InChIKeyNHLKJMWTJSKYGG-UHFFFAOYSA-N
XLogP2.16
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.14
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromothiophen-3-yl)-morpholin-4-ylmethanone
CID 146012637
4-bromo-3-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65372749
2,4-bis[3-bromo-4-(morpholine-4-carbonyl)phenyl]pentan-3-one
CID 150103048
[2,5-dibromo-4-(4-methylpiperidine-1-carbonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 30478701
[2-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-morpholin-4-ylmethanone
CID 91820756
2-bromo-4-chloro-5-(morpholine-4-carbonyl)benzenesulfonyl chloride
CID 65370831
(4-bromo-2,3-dimethoxyphenyl)-morpholin-4-ylmethanone
CID 66800644
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
(4-bromo-3-methylphenyl)-morpholin-4-ylmethanone
CID 18960596
morpholin-4-yl-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 61226112
(5-bromo-2-fluoro-3-methoxyphenyl)-morpholin-4-ylmethanone
CID 162421226

Frequently Asked Questions

What is the IUPAC name of [2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone (CID 30482005) is [2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone is O=C(c1cc(Br)c(C(=O)N2CCOCC2)cc1Br)N1CCOCC1.
What is the InChIKey of [2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is NHLKJMWTJSKYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Br2N2O4/c17-13-10-12(16(22)20-3-7-24-8-4-20)14(18)9-11(13)15(21)19-1-5-23-6-2-19/h9-10H,1-8H2.
What are the key properties of [2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone?
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 462.14 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 30482005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).